Crystallography Open Database

Information card for entry 7030509

Preview

Coordinates	7030509.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H43 Cl9 I P
Calculated formula	C34 H43 Cl9 I P
SMILES	[I-].ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.[P+]1(c2ccc3c4c(ccc1c24)CC3)(c1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)C
Title of publication	Phosphorus peri-bridged acenaphthenes: efficient syntheses, characterisation and quaternization reactions
Authors of publication	Wawrzyniak, Piotr; Slawin, Alexandra M. Z.; Fuller, Amy L.; Woollins, J. Derek; Kilian, Petr
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	38
Pages of publication	7883 - 7884
a	11.2391 ± 0.0016 Å
b	11.8953 ± 0.0012 Å
c	18.116 ± 0.003 Å
α	74.273 ± 0.02°
β	80.28 ± 0.02°
γ	63.267 ± 0.014°
Cell volume	2079 ± 0.6 Å³
Cell temperature	125.1 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0733
Weighted residual factors for all reflections included in the refinement	0.224
Goodness-of-fit parameter for all reflections included in the refinement	1.193
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Duplicate of	7002332
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7030509.html